Compound Detail
CHEMBL1084596
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Basic Information
| ChEMBL ID | CHEMBL1084596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRQXMOLKTOHTOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
2.73
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 CHEMBL4149 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 | Ki | = | 2100.0 | nM | 5.68 | Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by... | 20466543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466543 | 10.1016/j.bmcl.2010.04.086 | Large neutral amino acids transporter small subunit 1 | 2 |
Data from ChEMBL 36 via Core Engine